N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine

C15H14BrClFN — CID 115598223

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1ccc(Br)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H14BrClFN/c1-10(11-3-2-4-14(18)7-11)19-9-12-5-6-13(16)8-15(12)17/h2-8,10,19H,9H2,1H3
InChIKeyUTOGSESZNYDYEG-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.09
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine

N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 115598223) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
PubChem CID115598223
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
SMILESCC(NCc1ccc(Br)cc1Cl)c1cccc(F)c1
InChIInChI=1S/C15H14BrClFN/c1-10(11-3-2-4-14(18)7-11)19-9-12-5-6-13(16)8-15(12)17/h2-8,10,19H,9H2,1H3
InChIKeyUTOGSESZNYDYEG-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 104862306
3-chloro-4-[[1-(3-fluorophenyl)ethylamino]methyl]benzonitrile
CID 102664293
N-[(2,3-dichlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43080559
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
3-[1-[(2-chloro-4-fluorophenyl)methylamino]ethyl]phenol
CID 103792956
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81381880
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]benzene-1,2,3-triol
CID 107730910
4-[[1-(3-fluorophenyl)ethylamino]methyl]benzene-1,3-diol
CID 43205914
1-(4-bromo-2-chlorophenyl)-N-[(2-bromo-5-fluorophenyl)methyl]ethanamine
CID 82774821

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine (CID 115598223) is N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine is CC(NCc1ccc(Br)cc1Cl)c1cccc(F)c1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is UTOGSESZNYDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-10(11-3-2-4-14(18)7-11)19-9-12-5-6-13(16)8-15(12)17/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine?
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 342.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 115598223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).